N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide

C19H26N4O3 — CID 39485748

IUPACN-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESCC(C)CN1CCO[C@H](CNC(=O)Cn2ncc3ccccc3c2=O)C1
InChIInChI=1S/C19H26N4O3/c1-14(2)11-22-7-8-26-16(12-22)10-20-18(24)13-23-19(25)17-6-4-3-5-15(17)9-21-23/h3-6,9,14,16H,7-8,10-13H2,1-2H3,(H,20,24)/t16-/m1/s1
InChIKeyQDGXWIDXEKZFQC-MRXNPFEDSA-N
MW358.44 g/mol
LogP0.87
Rot. Bonds6

About N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide

N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide (PubChem CID 39485748) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide
PubChem CID39485748
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESCC(C)CN1CCO[C@H](CNC(=O)Cn2ncc3ccccc3c2=O)C1
InChIInChI=1S/C19H26N4O3/c1-14(2)11-22-7-8-26-16(12-22)10-20-18(24)13-23-19(25)17-6-4-3-5-15(17)9-21-23/h3-6,9,14,16H,7-8,10-13H2,1-2H3,(H,20,24)/t16-/m1/s1
InChIKeyQDGXWIDXEKZFQC-MRXNPFEDSA-N
XLogP0.87
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 75466609
[4-(2-methylpropyl)morpholin-2-yl]methyl 2-(1-oxophthalazin-2-yl)acetate
CID 86826446
N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369051
3-benzyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxophthalazine-1-carboxamide
CID 167831678
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 46684563
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide
CID 78812434
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 7995361
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 94014996
(3S)-2-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55934493
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55398239
1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]indole-3-carboxamide
CID 46576275
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indazole-3-carboxamide
CID 30538306

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide (CID 39485748) is N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide is CC(C)CN1CCO[C@H](CNC(=O)Cn2ncc3ccccc3c2=O)C1.
What is the InChIKey of N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide?
The InChIKey is QDGXWIDXEKZFQC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-14(2)11-22-7-8-26-16(12-22)10-20-18(24)13-23-19(25)17-6-4-3-5-15(17)9-21-23/h3-6,9,14,16H,7-8,10-13H2,1-2H3,(H,20,24)/t16-/m1/s1.
What are the key properties of N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide?
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide has a molecular weight of 358.44 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 39485748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).